1H-imidazol-2-yloxymethanamine

C4H7N3O — CID 145126650

IUPAC1H-imidazol-2-yloxymethanamine
SMILESNCOc1ncc[nH]1
InChIInChI=1S/C4H7N3O/c5-3-8-4-6-1-2-7-4/h1-2H,3,5H2,(H,6,7)
InChIKeyXSHSXQVQRMJYAB-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.30
Rot. Bonds2

About 1H-imidazol-2-yloxymethanamine

1H-imidazol-2-yloxymethanamine (PubChem CID 145126650) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 1H-imidazol-2-yloxymethanamine.

Molecular Properties

Compound Name1H-imidazol-2-yloxymethanamine
PubChem CID145126650
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name1H-imidazol-2-yloxymethanamine
SMILESNCOc1ncc[nH]1
InChIInChI=1S/C4H7N3O/c5-3-8-4-6-1-2-7-4/h1-2H,3,5H2,(H,6,7)
InChIKeyXSHSXQVQRMJYAB-UHFFFAOYSA-N
XLogP-0.30
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1H-imidazol-2-yloxymethanethiol
CID 151803159
2-methoxy-1H-imidazole
CID 19348571
2-(10,10-dimethylundecoxy)-1H-imidazole
CID 150382579
sodium;hydride;1H-imidazol-2-yl sulfite
CID 174926743
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734
1-[3-(1H-imidazol-2-yloxy)propyl]piperidine
CID 91011731
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
O-(1H-imidazol-2-yl) 2-amino-2-oxoethanethioate
CID 88516870
sodium;hydride;1H-imidazol-2-yl acetate
CID 173104751
N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride
CID 158093289
1H-imidazol-2-yl 2,2,2-trifluoroacetate
CID 57289417
1H-imidazol-2-yl pentanoate
CID 57278917

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yloxymethanamine?
The IUPAC name of 1H-imidazol-2-yloxymethanamine (CID 145126650) is 1H-imidazol-2-yloxymethanamine.
What is the SMILES notation for 1H-imidazol-2-yloxymethanamine?
The canonical SMILES for 1H-imidazol-2-yloxymethanamine is NCOc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yloxymethanamine?
The InChIKey is XSHSXQVQRMJYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-3-8-4-6-1-2-7-4/h1-2H,3,5H2,(H,6,7).
What are the key properties of 1H-imidazol-2-yloxymethanamine?
1H-imidazol-2-yloxymethanamine has a molecular weight of 113.12 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yloxymethanamine is sourced from PubChem (CID 145126650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).